LN-1-255

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H19N2O9S.Na
Molecular Weight	510.449
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].C[C@]2(COC(=O)CC1=CC=C(O)C(O)=C1)[C@@H](N3[C@@H](\C(=C/C4=NC=CC=C4)C3=O)S2(=O)=O)C([O-])=O

InChI

InChIKey=OISRDGHGSAOFKW-OIGABSMWSA-M

InChI=1S/C22H20N2O9S.Na/c1-22(11-33-17(27)9-12-5-6-15(25)16(26)8-12)18(21(29)30)24-19(28)14(20(24)34(22,31)32)10-13-4-2-3-7-23-13;/h2-8,10,18,20,25-26H,9,11H2,1H3,(H,29,30);/q;+1/p-1/b14-10-;/t18-,20+,22-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C22H19N2O9S
Molecular Weight	487.459
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:53:26 GMT 2025` Edited by `admin` on `Mon Mar 31 21:53:26 GMT 2025`
Record UNII	RWF5DLZ74F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LN-1-255

Code

English

4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3-((((3,4-DIHYDROXYPHENYL)ACETYL)OXY)METHYL)-3-METHYL-7-OXO-6-(2-PYRIDINYLMETHYLENE)-, 4,4-DIOXIDE, MONOSODIUM SALT, (2S,3R,5R,6Z)-

Preferred Name

English

SODIUM (2S,3R,5R,6Z)-3-(((2-(3,4-DIHYDROXYPHENYL)ACETYL)OXY)METHYL)-3-METHYL-4,4,7-TRIOXO-6-((PYRIDIN-2-YL)METHYLIDENE)-4LAMBDA6-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLATE

Systematic Name

English

4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3-(((2-(3,4-DIHYDROXYPHENYL)ACETYL)OXY)METHYL)-3-METHYL-7-OXO-6-(2-PYRIDINYLMETHYLENE)-, 4,4-DIOXIDE, SODIUM SALT (1:1), (2S,3R,5R,6Z)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

23672118

Created by admin on Mon Mar 31 21:53:26 GMT 2025 , Edited by admin on Mon Mar 31 21:53:26 GMT 2025

PRIMARY

CAS

247115-03-3

Created by admin on Mon Mar 31 21:53:26 GMT 2025 , Edited by admin on Mon Mar 31 21:53:26 GMT 2025

PRIMARY

FDA UNII

RWF5DLZ74F

Created by admin on Mon Mar 31 21:53:26 GMT 2025 , Edited by admin on Mon Mar 31 21:53:26 GMT 2025

PRIMARY

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